(E)-3-[4-(cyanomethoxy)-3,5-dimethyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3,5-dimethyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(cyanomethoxy)-3,5-dimethyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(cyanomethoxy)-3,5-dimethylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(cyanomethoxy)-3,5-dimethylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(cyanomethoxy)-3,5-dimethyl-phenyl]acrylic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC#N)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCC#N)C)/C=C/C(=O)O

InChI

InChI=1S/C13H13NO3/c1-9-7-11(3-4-12(15)16)8-10(2)13(9)17-6-5-14/h3-4,7-8H,6H2,1-2H3,(H,15,16)/b4-3+